4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzene-1,2-diol

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzene-1,2-diol Openeye Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzene-1,2-diol CAS Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzene-1,2-diol IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzene-1,2-diol Traditional Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]pyrocatechol Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)O)O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H20N2O2/c1-14-5-2-6-15(8-7-14)10-11-3-4-12(16)13(17)9-11/h3-4,9,16-17H,2,5-8,10H2,1H3/p+1